Nanoscale Device Modeling : From Wavefunctions to Green's Functions
نویسنده
چکیده
The non-equilibrium Green's function (NEGF) formalism provides a sound conceptual basis for the development of atomic level quantum mechanical simulators that will be needed for nanoscale MOS devices of the future. However, this formalism is based on concepts that are unfamiliar to most device physicists and as such remains relatively obscure. In this paper we try to achieve two objectives : (1) explain the central concepts that define the "language" of quantum transport, and (2) illustrate the NEGF formalism with simple examples that interested readers can easily duplicate on their PC's. These examples all involve a short n++ n+ n++ resistor whose physics is easily understood. Our primary purpose is to illustrate some of the unusual issues that arise in the simulation of short ballistic devices and to show that the NEGF formalism leads to physically sensible results for this simple device. But the basic formulation is quite general and can be applied even to something as different as a nanotube or a molecular wire, once a suitable Hamiltonian has been identified. Indeed even for MOS devices much work is needed in the coming years to identify suitable Hamiltonians and scattering models that are both accurate and tractable, in order that practical NEGF-based MOS device simulators can be developed. *email : [email protected]
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